3-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-keto-3,3-dimethyl-butyl)phthalazine-1-carboxylic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C15H16N2O4/c1-15(2,3)11(18)8-17-13(19)10-7-5-4-6-9(10)12(16-17)14(20)21/h4-7H,8H2,1-3H3,(H,20,21)